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The Journal of Chemical Physics|January 19, 2007
Geometric constraints in semiclassical initial value representation calculations in Cartesian coordinates: excited statesBilkiss B Issack, Pierre-Nicholas Roy
The Journal of Chemical Physics|July 23, 2004
On the calculation of single-particle time correlation functions from Bose-Einstein centroid dynamicsPaul Moffatt, Nicholas Blinov, Pierre-Nicholas Roy
The Journal of Chemical Physics|January 9, 2022
Path integral simulations of confined parahydrogen molecules within clathrate hydrates: Merging low temperature dynamics with the zero-temperature limitMatthew Schmidt, Jayme Millar, Pierre-Nicholas Roy
The Journal of Chemical Physics|May 17, 2013
On the origin and convergence of a Post-Quantization Constrained propagator for path integral simulations of rigid bodiesGrégoire Guillon, Tao Zeng, Pierre-Nicholas Roy
The Journal of Chemical Physics|February 24, 2018
Quantifying entanglement of rotor chains using basis truncation: Application to dipolar endofullerene peapodsTom Halverson, Dmitri Iouchtchenko, Pierre-Nicholas Roy
The Journal of Chemical Physics|August 12, 2004
Quantum Monte Carlo study of helium clusters doped with nitrous oxide: quantum solvation and rotational dynamicsSaverio Moroni, Nicholas Blinov, Pierre-Nicholas Roy
The Journal of Physical Chemistry Letters|August 21, 2015
Simulating Asymmetric Top Impurities in Superfluid Clusters: A para-Water Dopant in para-HydrogenTao Zeng, Hui Li, Pierre-Nicholas Roy
The Journal of Chemical Physics|July 23, 2004
Path integral Monte Carlo approach for weakly bound van der Waals complexes with rotations: algorithm and benchmark calculationsNicholas Blinov, XiaoGeng Song, Pierre-Nicholas Roy
The Journal of Chemical Physics|July 9, 2021
A path integral ground state approach for asymmetric top rotors with nuclear spin symmetry: Application to water chainsTapas Sahoo, Tobias Serwatka, Pierre-Nicholas Roy
The Journal of Chemical Physics|December 11, 2013
A new post-quantization constrained propagator for rigid tops for use in path integral quantum simulationsGrégoire Guillon, Tao Zeng, Pierre-Nicholas Roy
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